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dc.creatorMilovanović, Vesna M.
dc.creatorPetrović, Zorica D.
dc.creatorNovaković, Slađana B.
dc.creatorBogdanović, Goran A.
dc.creatorSimijonović, Dušica
dc.creatorPetrović, Vladimir P.
dc.date.accessioned2019-08-27T09:41:20Z
dc.date.available2019-08-27T09:41:20Z
dc.date.issued2019
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.urihttps://linkinghub.elsevier.com/retrieve/pii/S0022286019306659
dc.identifier.urihttps://vinar.vin.bg.ac.rs/handle/123456789/8224
dc.description.abstractSimple, one-pot, and low-cost reactions of acetylacetone with a variety of substituted benzoyl hydrazides in lemon juice, as eco-friendly medium, were performed. In reactions of benzoyl hydrazides with electron-donating groups on phenyl ring, the 1-benzoyl-1H-pyrazole derivatives were obtained in short reaction time, and in good to high yields. On the other hand, benzoyl hydrazides with electron-withdrawing groups reacted slower, yielding the mixture of 1-benzoyl-5-hydroxy-4,5-dihydro-1H-pyrazole and benzoyl-1H-pyrazole derivatives. It is worth pointing out that two products, (2-chlorophenyl)(4,5-dihydro-5-hydroxy-3,5-dimethylpyrazol-1-yl)methanone and (4-iodophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone are reported here for the first time. All obtained compounds were characterized using IR, UV–Vis and NMR, experimentally and theoretically, as well as with melting points. Good agreement between experimental and simulated IR, UV–Vis, 1H and 13C NMR spectra was achieved. In addition, crystal structures and Hirshfeld surfaces analysis of (4,5-dihydro-5-hydroxy-3,5-dimethylpyrazol-1-yl)(4-iodophenyl)methanone were reported. © 2019 Elsevier B.V.en
dc.language.isoen
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172016/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172014/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Molecular Structure
dc.subjectSpectral characterizationen
dc.subjectCrystal structureen
dc.subjectDensity functional theoryen
dc.subjectGreen synthetic procedureen
dc.titleStructural characterization of benzoyl-1H-pyrazole derivatives obtained in lemon juice medium: Experimental and theoretical approachen
dc.typearticleen
dc.rights.licenseARR
dcterms.abstractПетровић, Зорица Д.; Симијоновић, Душица; Миловановић, Весна; Богдановић, Горан A; Петровић, Владимир П; Новаковић, Слађана;
dc.rights.holder© 2019 Elsevier B.V.
dc.citation.volume1195
dc.citation.spage85
dc.citation.epage94
dc.identifier.wos000475344800008
dc.identifier.doi10.1016/j.molstruc.2019.05.095
dc.citation.rankM22
dc.type.versionpublishedVersion
dc.identifier.scopus2-s2.0-85066467734


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